| CAS Number | 695812-18-1 |
| Catalog Number | AG01BE3X |
| Chemical Name | 2,4-dipropoxybenzoic acid |
| IUPAC Name | 2,4-dipropoxybenzoic acid |
| InChI | InChI=1S/C13H18O4/c1-3-7-16-10-5-6-11(13(14)15)12(9-10)17-8-4-2/h5-6,9H,3-4,7-8H2,1-2H3,(H,14,15) |
| InChI Key | CALCUEXAMCWWSE-UHFFFAOYSA-N |
| MDL Number | MFCD12415011 |
| Molecular Formula | C13H18O4 |
| Molecular Weight | 238.2796 |
| SMILES | CCCOC1=CC(OCCC)=C(C(O)=O)C=C1 |
| Synonyms | 2,4-dipropoxybenzoic acid,
695812-18-1,
ZINC35414278,
AKOS005835160,
MCULE-9206760870,
NE43948,
Z1860991588,
|
| Complexity | 230 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 238.121g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 238.283g/mol |
| Monoisotopic Mass | 238.121g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 55.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number